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Compile Data Set for Download or QSAR

Found 71 hits from CRC Laboratory   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thymidylate synthase


(Mus musculus)
BDBM50403879
PNG
(CHEMBL320217)
Show SMILES Cc1nc2cc3CC[C@H](N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(O)=O)c4nnn[nH]4)C(O)=O)c3cc2c(=O)[nH]1
Show InChI InChI=1S/C32H33N9O7/c1-3-14-41(26-11-6-19-15-25-22(16-21(19)26)31(46)34-17(2)33-25)20-7-4-18(5-8-20)30(45)36-24(32(47)48)9-12-27(42)35-23(10-13-28(43)44)29-37-39-40-38-29/h1,4-5,7-8,15-16,23-24,26H,6,9-14H2,2H3,(H,35,42)(H,36,45)(H,43,44)(H,47,48)(H,33,34,46)(H,37,38,39,40)/t23-,24+,26+/m1/s1
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0.170n/an/an/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against thymidylate synthase of L1210 cells


Bioorg Med Chem Lett 11: 3015-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00612-6
BindingDB Entry DOI: 10.7270/Q2NK3G7F
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50088159
PNG
(4-[3-Carboxy-1-(1H-tetrazol-5-yl)-propylcarbamoyl]...)
Show SMILES Cc1nc2cc3CCC(N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(O)=O)c4nnn[nH]4)C(O)=O)c3cc2c(=O)[nH]1
Show InChI InChI=1S/C32H33N9O7/c1-3-14-41(26-11-6-19-15-25-22(16-21(19)26)31(46)34-17(2)33-25)20-7-4-18(5-8-20)30(45)36-24(32(47)48)9-12-27(42)35-23(10-13-28(43)44)29-37-39-40-38-29/h1,4-5,7-8,15-16,23-24,26H,6,9-14H2,2H3,(H,35,42)(H,36,45)(H,43,44)(H,47,48)(H,33,34,46)(H,37,38,39,40)/t23-,24+,26?/m1/s1
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0.200n/an/an/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against thymidylate synthase of L1210 cells


Bioorg Med Chem Lett 11: 3015-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00612-6
BindingDB Entry DOI: 10.7270/Q2NK3G7F
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50403876
PNG
(CHEMBL323098)
Show SMILES Cc1nc2cc3CC[C@H](N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)=O)c3cc2c(=O)[nH]1
Show InChI InChI=1S/C32H33N5O9/c1-3-14-37(26-11-6-19-15-25-22(16-21(19)26)30(42)34-17(2)33-25)20-7-4-18(5-8-20)29(41)36-24(32(45)46)9-12-27(38)35-23(31(43)44)10-13-28(39)40/h1,4-5,7-8,15-16,23-24,26H,6,9-14H2,2H3,(H,35,38)(H,36,41)(H,39,40)(H,43,44)(H,45,46)(H,33,34,42)/t23-,24+,26+/m1/s1
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0.330n/an/an/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against thymidylate synthase of L1210 cells


Bioorg Med Chem Lett 11: 3015-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00612-6
BindingDB Entry DOI: 10.7270/Q2NK3G7F
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50088161
PNG
(2-(4-Carboxy-4-{4-[(2-methyl-4-oxo-4,6,7,8-tetrahy...)
Show SMILES Cc1nc2cc3CCC(N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)=O)c3cc2c(=O)[nH]1
Show InChI InChI=1S/C32H33N5O9/c1-3-14-37(26-11-6-19-15-25-22(16-21(19)26)30(42)34-17(2)33-25)20-7-4-18(5-8-20)29(41)36-24(32(45)46)9-12-27(38)35-23(31(43)44)10-13-28(39)40/h1,4-5,7-8,15-16,23-24,26H,6,9-14H2,2H3,(H,35,38)(H,36,41)(H,39,40)(H,43,44)(H,45,46)(H,33,34,42)/t23-,24+,26?/m1/s1
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0.420n/an/an/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against thymidylate synthase of L1210 cells


Bioorg Med Chem Lett 11: 3015-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00612-6
BindingDB Entry DOI: 10.7270/Q2NK3G7F
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50403877
PNG
(CHEMBL103105)
Show SMILES Cc1nc2cc3CC[C@H](N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCCS(=O)(=O)c4nnc[nH]4)C(O)=O)c3cc2c(=O)[nH]1
Show InChI InChI=1S/C29H29N7O6S/c1-3-12-36(25-11-8-19-14-24-22(15-21(19)25)27(38)33-17(2)32-24)20-9-6-18(7-10-20)26(37)34-23(28(39)40)5-4-13-43(41,42)29-30-16-31-35-29/h1,6-7,9-10,14-16,23,25H,4-5,8,11-13H2,2H3,(H,34,37)(H,39,40)(H,30,31,35)(H,32,33,38)/t23-,25-/m0/s1
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0.710n/an/an/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against thymidylate synthase of L1210 cells


Bioorg Med Chem Lett 11: 3015-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00612-6
BindingDB Entry DOI: 10.7270/Q2NK3G7F
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50088164
PNG
((S)-2-{4-[(2-Methyl-4-oxo-4,6,7,8-tetrahydro-3H-cy...)
Show SMILES Cc1nc2cc3CCC(N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCCS(=O)(=O)c4nnc[nH]4)C(O)=O)c3cc2c(=O)[nH]1
Show InChI InChI=1S/C29H29N7O6S/c1-3-12-36(25-11-8-19-14-24-22(15-21(19)25)27(38)33-17(2)32-24)20-9-6-18(7-10-20)26(37)34-23(28(39)40)5-4-13-43(41,42)29-30-16-31-35-29/h1,6-7,9-10,14-16,23,25H,4-5,8,11-13H2,2H3,(H,34,37)(H,39,40)(H,30,31,35)(H,32,33,38)/t23-,25?/m0/s1
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0.780n/an/an/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against thymidylate synthase of L1210 cells


Bioorg Med Chem Lett 11: 3015-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00612-6
BindingDB Entry DOI: 10.7270/Q2NK3G7F
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50403878
PNG
(CHEMBL320651)
Show SMILES Cc1nc2cc3CC[C@@H](N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(O)=O)c4nnn[nH]4)C(O)=O)c3cc2c(=O)[nH]1
Show InChI InChI=1S/C32H33N9O7/c1-3-14-41(26-11-6-19-15-25-22(16-21(19)26)31(46)34-17(2)33-25)20-7-4-18(5-8-20)30(45)36-24(32(47)48)9-12-27(42)35-23(10-13-28(43)44)29-37-39-40-38-29/h1,4-5,7-8,15-16,23-24,26H,6,9-14H2,2H3,(H,35,42)(H,36,45)(H,43,44)(H,47,48)(H,33,34,46)(H,37,38,39,40)/t23-,24+,26-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against thymidylate synthase of L1210 cells


Bioorg Med Chem Lett 11: 3015-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00612-6
BindingDB Entry DOI: 10.7270/Q2NK3G7F
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50403880
PNG
(CHEMBL317717)
Show SMILES Cc1nc2cc3CC[C@@H](N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)=O)c3cc2c(=O)[nH]1
Show InChI InChI=1S/C32H33N5O9/c1-3-14-37(26-11-6-19-15-25-22(16-21(19)26)30(42)34-17(2)33-25)20-7-4-18(5-8-20)29(41)36-24(32(45)46)9-12-27(38)35-23(31(43)44)10-13-28(39)40/h1,4-5,7-8,15-16,23-24,26H,6,9-14H2,2H3,(H,35,38)(H,36,41)(H,39,40)(H,43,44)(H,45,46)(H,33,34,42)/t23-,24+,26-/m1/s1
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3.5n/an/an/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against thymidylate synthase of L1210 cells


Bioorg Med Chem Lett 11: 3015-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00612-6
BindingDB Entry DOI: 10.7270/Q2NK3G7F
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50008294
PNG
(2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...)
Show SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)
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20n/an/an/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against thymidylate synthase of L1210 cells


Bioorg Med Chem Lett 11: 3015-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00612-6
BindingDB Entry DOI: 10.7270/Q2NK3G7F
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50403881
PNG
(CHEMBL102954)
Show SMILES Cc1nc2cc3CC[C@@H](N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCCS(=O)(=O)c4nnc[nH]4)C(O)=O)c3cc2c(=O)[nH]1
Show InChI InChI=1S/C29H29N7O6S/c1-3-12-36(25-11-8-19-14-24-22(15-21(19)25)27(38)33-17(2)32-24)20-9-6-18(7-10-20)26(37)34-23(28(39)40)5-4-13-43(41,42)29-30-16-31-35-29/h1,6-7,9-10,14-16,23,25H,4-5,8,11-13H2,2H3,(H,34,37)(H,39,40)(H,30,31,35)(H,32,33,38)/t23-,25+/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against thymidylate synthase of L1210 cells


Bioorg Med Chem Lett 11: 3015-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00612-6
BindingDB Entry DOI: 10.7270/Q2NK3G7F
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029238
PNG
(CHEMBL132072 | Pyridin-4-yl-acetic acid (S)-2,6,6-...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C
Show InChI InChI=1S/C17H23NO2/c1-11-14-9-13(17(14,2)3)10-15(11)20-16(19)8-12-4-6-18-7-5-12/h4-7,11,13-15H,8-10H2,1-3H3/t11-,13?,14?,15?/m0/s1
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n/an/a 5n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029237
PNG
(2-Pyridin-4-yl-propionic acid (S)-2,6,6-trimethyl-...)
Show SMILES CC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1
Show InChI InChI=1S/C18H25NO2/c1-11(13-5-7-19-8-6-13)17(20)21-16-10-14-9-15(12(16)2)18(14,3)4/h5-8,11-12,14-16H,9-10H2,1-4H3/t11?,12-,14?,15?,16?/m0/s1
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n/an/a 6n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029237
PNG
(2-Pyridin-4-yl-propionic acid (S)-2,6,6-trimethyl-...)
Show SMILES CC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1
Show InChI InChI=1S/C18H25NO2/c1-11(13-5-7-19-8-6-13)17(20)21-16-10-14-9-15(12(16)2)18(14,3)4/h5-8,11-12,14-16H,9-10H2,1-4H3/t11?,12-,14?,15?,16?/m0/s1
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n/an/a 6n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029228
PNG
(2-Pyridin-4-yl-butyric acid (S)-2,6,6-trimethyl-bi...)
Show SMILES CCC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1
Show InChI InChI=1S/C19H27NO2/c1-5-15(13-6-8-20-9-7-13)18(21)22-17-11-14-10-16(12(17)2)19(14,3)4/h6-9,12,14-17H,5,10-11H2,1-4H3/t12-,14?,15?,16?,17?/m0/s1
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n/an/a 9n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029228
PNG
(2-Pyridin-4-yl-butyric acid (S)-2,6,6-trimethyl-bi...)
Show SMILES CCC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1
Show InChI InChI=1S/C19H27NO2/c1-5-15(13-6-8-20-9-7-13)18(21)22-17-11-14-10-16(12(17)2)19(14,3)4/h6-9,12,14-17H,5,10-11H2,1-4H3/t12-,14?,15?,16?,17?/m0/s1
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n/an/a 9n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029240
PNG
(2-Methyl-2-pyridin-4-yl-propionic acid (S)-2,6,6-t...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1ccncc1)C2(C)C
Show InChI InChI=1S/C19H27NO2/c1-12-15-10-14(18(15,2)3)11-16(12)22-17(21)19(4,5)13-6-8-20-9-7-13/h6-9,12,14-16H,10-11H2,1-5H3/t12-,14?,15?,16?/m0/s1
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n/an/a 10n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029229
PNG
(2-Methyl-2-pyridin-3-yl-propionic acid adamantan-1...)
Show SMILES CC(C)(C(=O)OC12CC3CC(CC(C3)C1)C2)c1cccnc1
Show InChI InChI=1S/C19H25NO2/c1-18(2,16-4-3-5-20-12-16)17(21)22-19-9-13-6-14(10-19)8-15(7-13)11-19/h3-5,12-15H,6-11H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029229
PNG
(2-Methyl-2-pyridin-3-yl-propionic acid adamantan-1...)
Show SMILES CC(C)(C(=O)OC12CC3CC(CC(C3)C1)C2)c1cccnc1
Show InChI InChI=1S/C19H25NO2/c1-18(2,16-4-3-5-20-12-16)17(21)22-19-9-13-6-14(10-19)8-15(7-13)11-19/h3-5,12-15H,6-11H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029230
PNG
(2-Methyl-2-pyridin-3-yl-propionic acid 2-methyl-ad...)
Show SMILES CC(C)(C(=O)OC1(C)C2CC3CC(C2)CC1C3)c1cccnc1
Show InChI InChI=1S/C20H27NO2/c1-19(2,15-5-4-6-21-12-15)18(22)23-20(3)16-8-13-7-14(10-16)11-17(20)9-13/h4-6,12-14,16-17H,7-11H2,1-3H3
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n/an/a 13n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029230
PNG
(2-Methyl-2-pyridin-3-yl-propionic acid 2-methyl-ad...)
Show SMILES CC(C)(C(=O)OC1(C)C2CC3CC(C2)CC1C3)c1cccnc1
Show InChI InChI=1S/C20H27NO2/c1-19(2,15-5-4-6-21-12-15)18(22)23-20(3)16-8-13-7-14(10-16)11-17(20)9-13/h4-6,12-14,16-17H,7-11H2,1-3H3
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n/an/a 13n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029241
PNG
(2-Pyridin-3-yl-propionic acid (S)-2,6,6-trimethyl-...)
Show SMILES CC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1cccnc1
Show InChI InChI=1S/C18H25NO2/c1-11(13-6-5-7-19-10-13)17(20)21-16-9-14-8-15(12(16)2)18(14,3)4/h5-7,10-12,14-16H,8-9H2,1-4H3/t11?,12-,14?,15?,16?/m0/s1
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n/an/a 14n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029238
PNG
(CHEMBL132072 | Pyridin-4-yl-acetic acid (S)-2,6,6-...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C
Show InChI InChI=1S/C17H23NO2/c1-11-14-9-13(17(14,2)3)10-15(11)20-16(19)8-12-4-6-18-7-5-12/h4-7,11,13-15H,8-10H2,1-3H3/t11-,13?,14?,15?/m0/s1
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n/an/a 14n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029242
PNG
(2-Methyl-2-pyridin-3-yl-propionic acid (S)-2,6,6-t...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1cccnc1)C2(C)C
Show InChI InChI=1S/C19H27NO2/c1-12-15-9-14(18(15,2)3)10-16(12)22-17(21)19(4,5)13-7-6-8-20-11-13/h6-8,11-12,14-16H,9-10H2,1-5H3/t12-,14?,15?,16?/m0/s1
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n/an/a 15n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029242
PNG
(2-Methyl-2-pyridin-3-yl-propionic acid (S)-2,6,6-t...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1cccnc1)C2(C)C
Show InChI InChI=1S/C19H27NO2/c1-12-15-9-14(18(15,2)3)10-16(12)22-17(21)19(4,5)13-7-6-8-20-11-13/h6-8,11-12,14-16H,9-10H2,1-5H3/t12-,14?,15?,16?/m0/s1
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n/an/a 15n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029240
PNG
(2-Methyl-2-pyridin-4-yl-propionic acid (S)-2,6,6-t...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1ccncc1)C2(C)C
Show InChI InChI=1S/C19H27NO2/c1-12-15-10-14(18(15,2)3)11-16(12)22-17(21)19(4,5)13-6-8-20-9-7-13/h6-9,12,14-16H,10-11H2,1-5H3/t12-,14?,15?,16?/m0/s1
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n/an/a 26n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029226
PNG
(2-Pyridin-3-yl-propionic acid adamantan-1-yl ester...)
Show SMILES CC(C(=O)OC12CC3CC(CC(C3)C1)C2)c1cccnc1
Show InChI InChI=1S/C18H23NO2/c1-12(16-3-2-4-19-11-16)17(20)21-18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,11-15H,5-10H2,1H3
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n/an/a 35n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029226
PNG
(2-Pyridin-3-yl-propionic acid adamantan-1-yl ester...)
Show SMILES CC(C(=O)OC12CC3CC(CC(C3)C1)C2)c1cccnc1
Show InChI InChI=1S/C18H23NO2/c1-12(16-3-2-4-19-11-16)17(20)21-18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,11-15H,5-10H2,1H3
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n/an/a 35n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029236
PNG
(2-Ethyl-2-pyridin-4-yl-butyric acid (S)-2,6,6-trim...)
Show SMILES CCC(CC)(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1
Show InChI InChI=1S/C21H31NO2/c1-6-21(7-2,15-8-10-22-11-9-15)19(23)24-18-13-16-12-17(14(18)3)20(16,4)5/h8-11,14,16-18H,6-7,12-13H2,1-5H3/t14-,16?,17?,18?/m0/s1
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n/an/a 35n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029227
PNG
(CHEMBL135095 | Pyridin-3-yl-acetic acid (3R,6R)-3,...)
Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1cccnc1
Show InChI InChI=1S/C22H31NO2/c1-15-7-8-17-20(2,3)18-13-22(15,17)10-9-21(18,4)25-19(24)12-16-6-5-11-23-14-16/h5-6,11,14-15,17-18H,7-10,12-13H2,1-4H3/t15-,17?,18?,21-,22?/m1/s1
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n/an/a 38n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029227
PNG
(CHEMBL135095 | Pyridin-3-yl-acetic acid (3R,6R)-3,...)
Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1cccnc1
Show InChI InChI=1S/C22H31NO2/c1-15-7-8-17-20(2,3)18-13-22(15,17)10-9-21(18,4)25-19(24)12-16-6-5-11-23-14-16/h5-6,11,14-15,17-18H,7-10,12-13H2,1-4H3/t15-,17?,18?,21-,22?/m1/s1
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n/an/a 38n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50029242
PNG
(2-Methyl-2-pyridin-3-yl-propionic acid (S)-2,6,6-t...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1cccnc1)C2(C)C
Show InChI InChI=1S/C19H27NO2/c1-12-15-9-14(18(15,2)3)10-16(12)22-17(21)19(4,5)13-7-6-8-20-11-13/h6-8,11-12,14-16H,9-10H2,1-5H3/t12-,14?,15?,16?/m0/s1
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n/an/a 47n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Inhibition of rat testicular Steroid 17-alpha-hydroxylase/17,20 lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50029242
PNG
(2-Methyl-2-pyridin-3-yl-propionic acid (S)-2,6,6-t...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)C(C)(C)c1cccnc1)C2(C)C
Show InChI InChI=1S/C19H27NO2/c1-12-15-9-14(18(15,2)3)10-16(12)22-17(21)19(4,5)13-7-6-8-20-11-13/h6-8,11-12,14-16H,9-10H2,1-5H3/t12-,14?,15?,16?/m0/s1
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n/an/a 52n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Inhibition of rat testicular C17,20-Lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029232
PNG
(CHEMBL134442 | Pyridin-4-yl-acetic acid (3R,6R)-3,...)
Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1ccncc1
Show InChI InChI=1S/C22H31NO2/c1-15-5-6-17-20(2,3)18-14-22(15,17)10-9-21(18,4)25-19(24)13-16-7-11-23-12-8-16/h7-8,11-12,15,17-18H,5-6,9-10,13-14H2,1-4H3/t15-,17?,18?,21-,22?/m1/s1
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n/an/a 52n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
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n/an/a 65n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
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n/an/a 65n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029241
PNG
(2-Pyridin-3-yl-propionic acid (S)-2,6,6-trimethyl-...)
Show SMILES CC(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1cccnc1
Show InChI InChI=1S/C18H25NO2/c1-11(13-6-5-7-19-10-13)17(20)21-16-9-14-8-15(12(16)2)18(14,3)4/h5-7,10-12,14-16H,8-9H2,1-4H3/t11?,12-,14?,15?,16?/m0/s1
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n/an/a 82n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029239
PNG
(CHEMBL131984 | Pyridin-3-yl-acetic acid (S)-2,6,6-...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1cccnc1)C2(C)C
Show InChI InChI=1S/C17H23NO2/c1-11-14-8-13(17(14,2)3)9-15(11)20-16(19)7-12-5-4-6-18-10-12/h4-6,10-11,13-15H,7-9H2,1-3H3/t11-,13?,14?,15?/m0/s1
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PubMed
n/an/a 88n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50029238
PNG
(CHEMBL132072 | Pyridin-4-yl-acetic acid (S)-2,6,6-...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C
Show InChI InChI=1S/C17H23NO2/c1-11-14-9-13(17(14,2)3)10-15(11)20-16(19)8-12-4-6-18-7-5-12/h4-7,11,13-15H,8-10H2,1-3H3/t11-,13?,14?,15?/m0/s1
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n/an/a 120n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human placental Cytochrome P450 19A1


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029233
PNG
(CHEMBL135037 | Pyridin-3-yl-acetic acid adamantan-...)
Show SMILES O=C(Cc1cccnc1)OC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H21NO2/c19-16(7-12-2-1-3-18-11-12)20-17-8-13-4-14(9-17)6-15(5-13)10-17/h1-3,11,13-15H,4-10H2
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n/an/a 130n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029236
PNG
(2-Ethyl-2-pyridin-4-yl-butyric acid (S)-2,6,6-trim...)
Show SMILES CCC(CC)(C(=O)OC1CC2CC([C@@H]1C)C2(C)C)c1ccncc1
Show InChI InChI=1S/C21H31NO2/c1-6-21(7-2,15-8-10-22-11-9-15)19(23)24-18-13-16-12-17(14(18)3)20(16,4)5/h8-11,14,16-18H,6-7,12-13H2,1-5H3/t14-,16?,17?,18?/m0/s1
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n/an/a 140n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029239
PNG
(CHEMBL131984 | Pyridin-3-yl-acetic acid (S)-2,6,6-...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1cccnc1)C2(C)C
Show InChI InChI=1S/C17H23NO2/c1-11-14-8-13(17(14,2)3)9-15(11)20-16(19)7-12-5-4-6-18-10-12/h4-6,10-11,13-15H,7-9H2,1-3H3/t11-,13?,14?,15?/m0/s1
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n/an/a 260n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50029238
PNG
(CHEMBL132072 | Pyridin-4-yl-acetic acid (S)-2,6,6-...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C
Show InChI InChI=1S/C17H23NO2/c1-11-14-9-13(17(14,2)3)10-15(11)20-16(19)8-12-4-6-18-7-5-12/h4-7,11,13-15H,8-10H2,1-3H3/t11-,13?,14?,15?/m0/s1
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n/an/a 260n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Inhibition of rat testicular Steroid 17-alpha-hydroxylase/17,20 lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029232
PNG
(CHEMBL134442 | Pyridin-4-yl-acetic acid (3R,6R)-3,...)
Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1ccncc1
Show InChI InChI=1S/C22H31NO2/c1-15-5-6-17-20(2,3)18-14-22(15,17)10-9-21(18,4)25-19(24)13-16-7-11-23-12-8-16/h7-8,11-12,15,17-18H,5-6,9-10,13-14H2,1-4H3/t15-,17?,18?,21-,22?/m1/s1
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n/an/a 270n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50029238
PNG
(CHEMBL132072 | Pyridin-4-yl-acetic acid (S)-2,6,6-...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1ccncc1)C2(C)C
Show InChI InChI=1S/C17H23NO2/c1-11-14-9-13(17(14,2)3)10-15(11)20-16(19)8-12-4-6-18-7-5-12/h4-7,11,13-15H,8-10H2,1-3H3/t11-,13?,14?,15?/m0/s1
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n/an/a 280n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Inhibition of rat testicular C17,20-Lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029235
PNG
(CHEMBL3084924 | Pyridin-3-yl-acetic acid 2-methyl-...)
Show SMILES CC1(OC(=O)Cc2cccnc2)C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C18H23NO2/c1-18(21-17(20)10-12-3-2-4-19-11-12)15-6-13-5-14(8-15)9-16(18)7-13/h2-4,11,13-16H,5-10H2,1H3
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n/an/a 320n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50029232
PNG
(CHEMBL134442 | Pyridin-4-yl-acetic acid (3R,6R)-3,...)
Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)Cc1ccncc1
Show InChI InChI=1S/C22H31NO2/c1-15-5-6-17-20(2,3)18-14-22(15,17)10-9-21(18,4)25-19(24)13-16-7-11-23-12-8-16/h7-8,11-12,15,17-18H,5-6,9-10,13-14H2,1-4H3/t15-,17?,18?,21-,22?/m1/s1
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n/an/a 440n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human placental Cytochrome P450 19A1


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50029239
PNG
(CHEMBL131984 | Pyridin-3-yl-acetic acid (S)-2,6,6-...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1cccnc1)C2(C)C
Show InChI InChI=1S/C17H23NO2/c1-11-14-8-13(17(14,2)3)9-15(11)20-16(19)7-12-5-4-6-18-10-12/h4-6,10-11,13-15H,7-9H2,1-3H3/t11-,13?,14?,15?/m0/s1
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n/an/a 460n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Inhibition of rat testicular Steroid 17-alpha-hydroxylase/17,20 lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50029239
PNG
(CHEMBL131984 | Pyridin-3-yl-acetic acid (S)-2,6,6-...)
Show SMILES C[C@H]1C2CC(CC1OC(=O)Cc1cccnc1)C2(C)C
Show InChI InChI=1S/C17H23NO2/c1-11-14-8-13(17(14,2)3)9-15(11)20-16(19)7-12-5-4-6-18-10-12/h4-6,10-11,13-15H,7-9H2,1-3H3/t11-,13?,14?,15?/m0/s1
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n/an/a 520n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Inhibition of rat testicular C17,20-Lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029231
PNG
(2-Methyl-2-pyridin-3-yl-propionic acid (3R,6R)-3,6...)
Show SMILES C[C@@H]1CCC2C(C)(C)C3CC12CC[C@@]3(C)OC(=O)C(C)(C)c1cccnc1
Show InChI InChI=1S/C24H35NO2/c1-16-9-10-18-22(4,5)19-14-24(16,18)12-11-23(19,6)27-20(26)21(2,3)17-8-7-13-25-15-17/h7-8,13,15-16,18-19H,9-12,14H2,1-6H3/t16-,18?,19?,23-,24?/m1/s1
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n/an/a 670n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular C17,20-Lyase.


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50029233
PNG
(CHEMBL135037 | Pyridin-3-yl-acetic acid adamantan-...)
Show SMILES O=C(Cc1cccnc1)OC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H21NO2/c19-16(7-12-2-1-3-18-11-12)20-17-8-13-4-14(9-17)6-15(5-13)10-17/h1-3,11,13-15H,4-10H2
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n/an/a 930n/an/an/an/an/an/a



CRC Laboratory

Curated by ChEMBL


Assay Description
Tested for inhibition of human testicular Steroid 17-alpha-hydroxylase/17,20 lyase


J Med Chem 38: 4191-7 (1995)


Article DOI: 10.1021/jm00021a008
BindingDB Entry DOI: 10.7270/Q2NK3D2C
More data for this
Ligand-Target Pair
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